N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrofuran-2-carboxamide
TL;DR: N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrofuran-2-carboxamide (CAS 477498-01-4) is a chemical compound with molecular formula C14H11N3O4S and molecular weight 317.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(2-cyanoethylsulfanyl)phenyl]-5-nitrofuran-2-carboxamide
Also Known As: N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrofuran-2-carboxamide, F0806-0862, N-[o-(2-cyanoethylthio)phenyl]-5-nitro-2-furamide, N-[2-(2-cyanoethylsulfanyl)phenyl]-5-nitrofuran-2-carboxamide, N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-5-nitrofuran-2-carboxamide
| Molecular Formula | C14H11N3O4S |
|---|---|
| Molecular Weight | 317.05 g/mol |
| LogP | 3.44588 |
| Topological Polar Surface Area | 109.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.04703 |
| Heavy Atoms | 22 |
| Complexity | 735.6843 |
Chemical Identifiers
| CAS Number | 477498-01-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-])SCCC#N |
Product Overview
N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrofuran-2-carboxamide (CAS 477498-01-4), with molecular formula C14H11N3O4S and molecular weight 317.05 g/mol. IUPAC: N-[2-(2-cyanoethylsulfanyl)phenyl]-5-nitrofuran-2-carboxamide.
Chemical Property Profile of N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrofuran-2-carboxamide
Property Insights of N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrofuran-2-carboxamide
The XLogP value of 3.44588 indicates that N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrofuran-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.17 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrofuran-2-carboxamide. Following Lipinski's Rule of Five, N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrofuran-2-carboxamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrofuran-2-carboxamide?
The CAS number of N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrofuran-2-carboxamide is 477498-01-4.
What is the molecular formula of N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrofuran-2-carboxamide?
The molecular formula of N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrofuran-2-carboxamide is C14H11N3O4S.
What is the molecular weight of N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrofuran-2-carboxamide?
The molecular weight of N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrofuran-2-carboxamide is 317.05 g/mol.
Where can I buy N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrofuran-2-carboxamide?
You can request a quote for N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrofuran-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrofuran-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrofuran-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.